2.2k citations · 3.5k across the 37 of their papers we have counts for
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cond-mat.mtrl-sci2023★ 10 cited
Generating and grading 34 Optimized Norm-Conserving Vanderbilt Pseudopotentials for Actinides and Super Heavy Elements in the PseudoDojo
Christian Tantardini, Miroslav Iliaš, Matteo Giantomassi +3
In the last decades, material discovery has been a very active research field driven by the need to find new materials for many different applications. This has also included mater…
cond-mat.mtrl-sci2023★ 87 cited
How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
Emanuele Bosoni, Louis Beal, Marnik Bercx +42
In the past decades many density-functional theory methods and codes adopting periodic boundary conditions have been developed and are now extensively used in condensed matter phys…